3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine

C14H18N4O2 — CID 68876317

IUPAC3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine
SMILESNc1cc(OCc2cccc(N3CCOCC3)c2)n[nH]1
InChIInChI=1S/C14H18N4O2/c15-13-9-14(17-16-13)20-10-11-2-1-3-12(8-11)18-4-6-19-7-5-18/h1-3,8-9H,4-7,10H2,(H3,15,16,17)
InChIKeyGZDKRRNRCYHDOJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.41
Rot. Bonds4

About 3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine

3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine (PubChem CID 68876317) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine
PubChem CID68876317
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine
SMILESNc1cc(OCc2cccc(N3CCOCC3)c2)n[nH]1
InChIInChI=1S/C14H18N4O2/c15-13-9-14(17-16-13)20-10-11-2-1-3-12(8-11)18-4-6-19-7-5-18/h1-3,8-9H,4-7,10H2,(H3,15,16,17)
InChIKeyGZDKRRNRCYHDOJ-UHFFFAOYSA-N
XLogP1.41
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine?
The IUPAC name of 3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine (CID 68876317) is 3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine.
What is the SMILES notation for 3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine?
The canonical SMILES for 3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine is Nc1cc(OCc2cccc(N3CCOCC3)c2)n[nH]1.
What is the InChIKey of 3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine?
The InChIKey is GZDKRRNRCYHDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-13-9-14(17-16-13)20-10-11-2-1-3-12(8-11)18-4-6-19-7-5-18/h1-3,8-9H,4-7,10H2,(H3,15,16,17).
What are the key properties of 3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine?
3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine has a molecular weight of 274.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-morpholin-4-ylphenyl)methoxy]-1H-pyrazol-5-amine is sourced from PubChem (CID 68876317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).